Chemical Properties of endo-Methylenetetrahydrophthalic acid, dimethyl ester

InChI

InChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3-4,6-9H,5H2,1-2H3

InChI Key

VGQLNJWOULYVFV-UHFFFAOYSA-N

Formula

C11H14O4

SMILES

COC(=O)C1C2C=CC(C2)C1C(=O)OC

Molecular Weight¹

210.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-624.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.52	kJ/mol	Joback Calculated Property
ΔvapH°	76.35	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.25		Relay (1.0) Calculated Property
logPoct/wat	0.771		Crippen Calculated Property
McVol	154.710	ml/mol	McGowan Calculated Property
Inp	[1441.60; 1441.60]
Inp	1441.60		NIST
Inp	1441.60		NIST
Tboil	501.32	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.79; 546.32]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.22400e+01
Coefficient B			1.12244e+00
Coefficient C			-6.55880e-04
Coefficient D			1.22000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.79	J/mol×K	273.00	Calculated Property
Cp,gas	278.17	J/mol×K	353.78	Calculated Property
Cp,gas	331.68	J/mol×K	434.56	Calculated Property
Cp,gas	378.71	J/mol×K	515.33	Calculated Property
Cp,gas	419.64	J/mol×K	596.11	Calculated Property
Cp,gas	454.85	J/mol×K	676.89	Calculated Property
Cp,gas	484.75	J/mol×K	757.67	Calculated Property
Cp,gas	509.70	J/mol×K	838.44	Calculated Property
Cp,gas	530.09	J/mol×K	919.22	Calculated Property
Cp,gas	546.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020199; 0.0008157]	Pa×s	[323.03; 546.58]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-8.42180e+00
Coefficient B			7.16190e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			323.03
Temperature range, max.			546.58
η	0.0020199	Pa×s	323.03	Calculated Property
η	0.0017242	Pa×s	347.87	Calculated Property
η	0.0015031	Pa×s	372.71	Calculated Property
η	0.0013331	Pa×s	397.55	Calculated Property
η	0.0011991	Pa×s	422.38	Calculated Property
η	0.0010913	Pa×s	447.22	Calculated Property
η	0.0010031	Pa×s	472.06	Calculated Property
η	0.0009299	Pa×s	496.90	Calculated Property
η	0.0008682	Pa×s	521.74	Calculated Property
η	0.0008157	Pa×s	546.58	Calculated Property

Similar Compounds

Find more compounds similar to endo-Methylenetetrahydrophthalic acid, dimethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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